UCSF

ZINC13569907

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 12.64 -55.4 1 6 0 74 436.552 9
Mid Mid (pH 6-8) 3.27 12.46 -45.86 1 6 1 68 437.56 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )